(3R)-N'-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

Systemtic Name: (3R)-N'-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Openeye Name: (3R)-N'-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide CAS Name: (3R)-N'-[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide IUPAC Name: (3R)-N'-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Traditional Name: (3R)-N'-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NNC(=O)C2COC3=CC=CC=C3O2)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NNC(=O)[C@H]2COC3=CC=CC=C3O2)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O4/c26-20(14-24-10-12-25(13-11-24)16-6-2-1-3-7-16)22-23-21(27)19-15-28-17-8-4-5-9-18(17)29-19/h1-9,19H,10-15H2,(H,22,26)(H,23,27)/p+1/t19-/m1/s1